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CHEBI ONTOLOGY - ANNOTATIONS

The Chemical Entities of Biological Interest (ChEBI) ontology is downloaded weekly from EMBL-EBI at http://www.ebi.ac.uk/chebi/. The data is made available under the Creative Commons License (CC BY 3.0, http://creativecommons.org/licenses/by/3.0/). For more information see: Degtyarenko et al. (2008) ChEBI: a database and ontology for chemical entities of biological interest. Nucleic Acids Res. 36, D344–D350.
Term:fosaprepitant(2-)
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Accession:CHEBI:64322 term browser browse the term
Definition:An organic phosphoramidate anion obtained by deprotonation of the two phosphoramide OH groups of fosaprepitant.
Synonyms:exact_synonym: (3-{[(2R,3S)-2-{(1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholin-4-yl]methyl}-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl)phosphonate
 related_synonym: Formula=C23H20F7N4O6P;   InChI=1S/C23H22F7N4O6P/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)40-20-19(13-2-4-17(24)5-3-13)33(6-7-39-20)11-18-31-21(35)34(32-18)41(36,37)38/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H,31,32,35)(H2,36,37,38)/p-2/t12-,19+,20-/m1/s1;   InChIKey=BARDROPHSZEBKC-OITMNORJSA-L;   SMILES=C[C@@H](O[C@H]1OCCN(Cc2nn(c(=O)[nH]2)P([O-])([O-])=O)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F;   fosaprepitant dianion
 cyclic_relationship: is_conjugate_base_of CHEBI:64321

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  CHEBI ontology 0
    chemical entity 0
      molecular entity 0
        ion 0
          anion 0
            organic anion 0
              organic phosphoramidate anion 0
                fosaprepitant(2-) 0
                  fosaprepitant dimeglumine 0
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Term Annotations click to browse term
  CHEBI ontology 0
    subatomic particle 0
      composite particle 0
        hadron 0
          baryon 0
            nucleon 0
              atomic nucleus 0
                atom 0
                  main group element atom 0
                    p-block element atom 0
                      p-block molecular entity 0
                        carbon group molecular entity 0
                          organic molecular entity 0
                            organic ion 0
                              organic anion 0
                                organic phosphoramidate anion 0
                                  fosaprepitant(2-) 0
                                    fosaprepitant dimeglumine 0
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